3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine

C10H17N3O2S — CID 114804309

IUPAC3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine
SMILESCc1cccc(N)c1NS(=O)(=O)NC(C)C
InChIInChI=1S/C10H17N3O2S/c1-7(2)12-16(14,15)13-10-8(3)5-4-6-9(10)11/h4-7,12-13H,11H2,1-3H3
InChIKeyRCPUBMYHKCVTGA-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.23
Rot. Bonds4

About 3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine

3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine (PubChem CID 114804309) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine
PubChem CID114804309
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine
SMILESCc1cccc(N)c1NS(=O)(=O)NC(C)C
InChIInChI=1S/C10H17N3O2S/c1-7(2)12-16(14,15)13-10-8(3)5-4-6-9(10)11/h4-7,12-13H,11H2,1-3H3
InChIKeyRCPUBMYHKCVTGA-UHFFFAOYSA-N
XLogP1.23
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine
CID 114804604
N-(2-amino-6-methylphenyl)cyclohexanesulfonamide
CID 61065471
1-amino-2-(diethylsulfamoylamino)-3-methylbenzene
CID 43152352
N-(2-amino-6-methylphenyl)-2-fluorobenzenesulfonamide
CID 43330093
N-(2-amino-6-methylphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520816
2-methyl-1-N-(propan-2-ylsulfamoyl)benzene-1,4-diamine
CID 114804165
4-methyl-1-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine
CID 114804316
N-(2-amino-6-methylphenyl)-4-(cyanomethyl)benzenesulfonamide
CID 79185502
2-hydrazinyl-3-methylaniline
CID 118990747
3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 82668611
N-(2-amino-6-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43330087
2-(2-amino-6-methylanilino)propane-1,3-diol
CID 115550630

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine?
The IUPAC name of 3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine (CID 114804309) is 3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine.
What is the SMILES notation for 3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine?
The canonical SMILES for 3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine is Cc1cccc(N)c1NS(=O)(=O)NC(C)C.
What is the InChIKey of 3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine?
The InChIKey is RCPUBMYHKCVTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-7(2)12-16(14,15)13-10-8(3)5-4-6-9(10)11/h4-7,12-13H,11H2,1-3H3.
What are the key properties of 3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine?
3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine has a molecular weight of 243.33 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine is sourced from PubChem (CID 114804309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).